4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid

Systemtic Name: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid Openeye Name: 4-cyano-4-(3,5-diisopropylphenyl)heptanedioic acid CAS Name: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid IUPAC Name: 4-cyano-4-[3,5-di(propan-2-yl)phenyl]heptanedioic acid Traditional Name: 4-cyano-4-(3,5-diisopropylphenyl)pimelic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1)C(CCC(=O)O)(CCC(=O)O)C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=CC(=C1)C(CCC(=O)O)(CCC(=O)O)C#N)C(C)C

InChI

InChI=1S/C20H27NO4/c1-13(2)15-9-16(14(3)4)11-17(10-15)20(12-21,7-5-18(22)23)8-6-19(24)25/h9-11,13-14H,5-8H2,1-4H3,(H,22,23)(H,24,25)